Information card for entry 7010242

Structure parameters

• Chemical name: [Al2(L-5)2Me4]
• Formula: C26 H60 Al2 N6 O2
• Calculated formula: C26 H60 Al2 N6 O2
• SMILES: C1[N]2([Al]3(C)(C)[O]([Al]4([N]5(CCN(CCN(CC5)C)C)C[C@H]([O]34)C)(C)C)[C@@H](C2)C)CCN(C)CCN(C1)C.C1[N]2([Al]3(C)(C)[O]([Al]4([N]5(CCN(CCN(CC5)C)C)C[C@@H]([O]34)C)(C)C)[C@H](C2)C)CCN(C)CCN(C1)C
• Title of publication: Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands
• Authors of publication: Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 157
• a: 22.345 ± 0.001 Å
• b: 13.972 ± 0.0004 Å
• c: 10.634 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3320 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No